N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide

C21H24N4O2 — CID 89741711

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(1-phenylethyl)pyrazole-4-carboxamide
SMILESCC1=CC(=C(C(=O)N1)CNC(=O)C2=CN(N=C2C)C(C)C3=CC=CC=C3)C
InChIInChI=1S/C21H24N4O2/c1-13-10-14(2)23-21(27)18(13)11-22-20(26)19-12-25(24-15(19)3)16(4)17-8-6-5-7-9-17/h5-10,12,16H,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyGGEMCYUQLVBIKT-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.50
Rot. Bonds5

About N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 89741711) has the molecular formula C21H24N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(1-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
PubChem CID89741711
Molecular FormulaC21H24N4O2
Molecular Weight364.40 g/mol
Exact Mass364.19
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(1-phenylethyl)pyrazole-4-carboxamide
SMILESCC1=CC(=C(C(=O)N1)CNC(=O)C2=CN(N=C2C)C(C)C3=CC=CC=C3)C
InChIInChI=1S/C21H24N4O2/c1-13-10-14(2)23-21(27)18(13)11-22-20(26)19-12-25(24-15(19)3)16(4)17-8-6-5-7-9-17/h5-10,12,16H,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyGGEMCYUQLVBIKT-UHFFFAOYSA-N
XLogP2.50
TPSA76.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity649

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide (CID 89741711) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(1-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide is CC1=CC(=C(C(=O)N1)CNC(=O)C2=CN(N=C2C)C(C)C3=CC=CC=C3)C.
What is the InChIKey of N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GGEMCYUQLVBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-10-14(2)23-21(27)18(13)11-22-20(26)19-12-25(24-15(19)3)16(4)17-8-6-5-7-9-17/h5-10,12,16H,11H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide?
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 89741711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).